9-ethyl-10-[(10-ethylanthracen-9-yl)methyl]anthracene

C33H28 — CID 59194323

IUPAC9-ethyl-10-[(10-ethylanthracen-9-yl)methyl]anthracene
SMILESCCc1c2ccccc2c(Cc2c3ccccc3c(CC)c3ccccc23)c2ccccc12
InChIInChI=1S/C33H28/c1-3-22-24-13-5-9-17-28(24)32(29-18-10-6-14-25(22)29)21-33-30-19-11-7-15-26(30)23(4-2)27-16-8-12-20-31(27)33/h5-20H,3-4,21H2,1-2H3
InChIKeyMPLKCJLQZCCPSJ-UHFFFAOYSA-N
MW424.59 g/mol
LogP9.02
Rot. Bonds4

About 9-ethyl-10-[(10-ethylanthracen-9-yl)methyl]anthracene

9-ethyl-10-[(10-ethylanthracen-9-yl)methyl]anthracene (PubChem CID 59194323) has the molecular formula C33H28 and a molecular weight of 424.59 g/mol. Its IUPAC name is 9-ethyl-10-[(10-ethylanthracen-9-yl)methyl]anthracene.

Molecular Properties

Compound Name9-ethyl-10-[(10-ethylanthracen-9-yl)methyl]anthracene
PubChem CID59194323
Molecular FormulaC33H28
Molecular Weight424.59 g/mol
Exact Mass424.22
IUPAC Name9-ethyl-10-[(10-ethylanthracen-9-yl)methyl]anthracene
SMILESCCc1c2ccccc2c(Cc2c3ccccc3c(CC)c3ccccc23)c2ccccc12
InChIInChI=1S/C33H28/c1-3-22-24-13-5-9-17-28(24)32(29-18-10-6-14-25(22)29)21-33-30-19-11-7-15-26(30)23(4-2)27-16-8-12-20-31(27)33/h5-20H,3-4,21H2,1-2H3
InChIKeyMPLKCJLQZCCPSJ-UHFFFAOYSA-N
XLogP9.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-chloro-10-ethylanthracene
CID 23018360
9-ethyl-10-propan-2-ylanthracene
CID 145486234
2,3-diethyl-1,4-dimethylnaphthalene
CID 59270753
9,10-diphenylanthracene;ethane;9-phenyl-10-[(10-phenylanthracen-9-yl)methyl]anthracene
CID 157434861
2-[(2,10-diethylanthracen-9-yl)methyl]pyrimidine
CID 90361391
bis(9-butan-2-yl-10-ethylanthracene);ethane;methane
CID 165083204
10-ethylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 142255982
1,4-diethylnaphthalene-2,3-dicarboxylic acid
CID 19961477
9-(anthracen-9-ylmethyl)anthracene;ethane
CID 91026872
2,3-diethyl-1-methyl-4-propylnaphthalene
CID 139700920
9-ethyl-10-naphthalen-2-ylanthracene
CID 143444762
9,10-dibutylanthracene
CID 605822

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-10-[(10-ethylanthracen-9-yl)methyl]anthracene?
The IUPAC name of 9-ethyl-10-[(10-ethylanthracen-9-yl)methyl]anthracene (CID 59194323) is 9-ethyl-10-[(10-ethylanthracen-9-yl)methyl]anthracene.
What is the SMILES notation for 9-ethyl-10-[(10-ethylanthracen-9-yl)methyl]anthracene?
The canonical SMILES for 9-ethyl-10-[(10-ethylanthracen-9-yl)methyl]anthracene is CCc1c2ccccc2c(Cc2c3ccccc3c(CC)c3ccccc23)c2ccccc12.
What is the InChIKey of 9-ethyl-10-[(10-ethylanthracen-9-yl)methyl]anthracene?
The InChIKey is MPLKCJLQZCCPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28/c1-3-22-24-13-5-9-17-28(24)32(29-18-10-6-14-25(22)29)21-33-30-19-11-7-15-26(30)23(4-2)27-16-8-12-20-31(27)33/h5-20H,3-4,21H2,1-2H3.
What are the key properties of 9-ethyl-10-[(10-ethylanthracen-9-yl)methyl]anthracene?
9-ethyl-10-[(10-ethylanthracen-9-yl)methyl]anthracene has a molecular weight of 424.59 g/mol, XLogP of 9.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-10-[(10-ethylanthracen-9-yl)methyl]anthracene is sourced from PubChem (CID 59194323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).